7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C11H13ClN6 — CID 64575666

IUPAC7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1c(Cl)nnc(N2CCn3cnnc3C2)c1C
InChIInChI=1S/C11H13ClN6/c1-7-8(2)11(16-15-10(7)12)17-3-4-18-6-13-14-9(18)5-17/h6H,3-5H2,1-2H3
InChIKeyVIQGKCHIMDVDJE-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.36
Rot. Bonds1

About 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64575666) has the molecular formula C11H13ClN6 and a molecular weight of 264.72 g/mol. Its IUPAC name is 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64575666
Molecular FormulaC11H13ClN6
Molecular Weight264.72 g/mol
Exact Mass264.09
IUPAC Name7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1c(Cl)nnc(N2CCn3cnnc3C2)c1C
InChIInChI=1S/C11H13ClN6/c1-7-8(2)11(16-15-10(7)12)17-3-4-18-6-13-14-9(18)5-17/h6H,3-5H2,1-2H3
InChIKeyVIQGKCHIMDVDJE-UHFFFAOYSA-N
XLogP1.36
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64575666) is 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cc1c(Cl)nnc(N2CCn3cnnc3C2)c1C.
What is the InChIKey of 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VIQGKCHIMDVDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6/c1-7-8(2)11(16-15-10(7)12)17-3-4-18-6-13-14-9(18)5-17/h6H,3-5H2,1-2H3.
What are the key properties of 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 264.72 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64575666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).